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Chemical ID: 4672386
Chemical ID:
4672386
Name [?]:
1-(9H-fluoren-9-yl)benzotriazole
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
InChi [?]:
InChI=1/C19H13N3/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)22-18-12-6-5-11-17(18)20-21-22/h1-12,19H
InChi Info:
AuxInfo=1/0/N:1,9,2,10,18,17,6,8,3,11,19,16,5,7,4,12,20,15,13,21,22,14/E:(1,2)(3,4)(7,8)(9,10)(13,14)(15,16)/rA:22nCCCCCCCCCCCCCNCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13N3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3664 |
Area: | 462.488 |
Solvation: | -2.19581 |
Coulombic: | -8.50136 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 283.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.15 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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